CID 85755

14576-08-0

Structural Information

Molecular Formula
C11H20O
SMILES
CC1=CCC(CC1)C(C)(C)OC
InChI
InChI=1S/C11H20O/c1-9-5-7-10(8-6-9)11(2,3)12-4/h5,10H,6-8H2,1-4H3
InChIKey
YWJHQHJWHJRTAB-UHFFFAOYSA-N
Compound name
4-(2-methoxypropan-2-yl)-1-methylcyclohexene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1003
Patents

168.15141 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.15869 139.2
[M+Na]+ 191.14063 150.7
[M+NH4]+ 186.18523 148.4
[M+K]+ 207.11457 144.5
[M-H]- 167.14413 141.3
[M+Na-2H]- 189.12608 145.1
[M]+ 168.15086 141.5
[M]- 168.15196 141.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe